pentyl 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: pentyl 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: pentyl 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridin-1-iumcarboxylic acid pentyl ester IUPAC Name: pentyl 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylic acid amyl ester Formula: C11H14Cl3N2O2+ MolecularWeight: 312.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

Isomeric SMILES

CCCCCOC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C11H13Cl3N2O2/c1-2-3-4-5-18-11(17)9-6(12)8(15)7(13)10(14)16-9/h2-5H2,1H3,(H2,15,16)/p+1